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Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation
dc.contributor.author | Celma, Alberto | |
dc.contributor.author | Sancho, Juan V | |
dc.contributor.author | Schymanski, Emma | |
dc.contributor.author | Fabregat-Safont, David | |
dc.contributor.author | Ibáñez, Maria | |
dc.contributor.author | Goshawk, Jeff | |
dc.contributor.author | Barknowitz, Gitte | |
dc.contributor.author | Hernandez, Felix | |
dc.contributor.author | Bijlsma, Lubertus | |
dc.date.accessioned | 2021-03-17T10:14:53Z | |
dc.date.available | 2021-03-17T10:14:53Z | |
dc.date.issued | 2020-11-19 | |
dc.identifier.citation | CELMA, Alberto, et al. Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation. Environmental Science & Technology, 2020, vol. 54, no 23, p. 15120-15131. | ca_CA |
dc.identifier.issn | 0013-936X | |
dc.identifier.issn | 1520-5851 | |
dc.identifier.uri | http://hdl.handle.net/10234/192576 | |
dc.description.abstract | Currently, the most powerful approach to monitor organic micropollutants (OMPs) in environmental samples is the combination of target, suspect, and nontarget screening strategies using high-resolution mass spectrometry (HRMS). However, the high complexity of sample matrices and the huge number of OMPs potentially present in samples at low concentrations pose an analytical challenge. Ion mobility separation (IMS) combined with HRMS instruments (IMS−HRMS) introduces an additional analytical dimension, providing extra information, which facilitates the identification of OMPs. The collision cross-section (CCS) value provided by IMS is unaffected by the matrix or chromatographic separation. Consequently, the creation of CCS databases and the inclusion of ion mobility within identification criteria are of high interest for an enhanced and robust screening strategy. In this work, a CCS library for IMS−HRMS, which is online and freely available, was developed for 556 OMPs in both positive and negative ionization modes using electrospray ionization. The inclusion of ion mobility data in widely adopted confidence levels for identification in environmental reporting is discussed. Illustrative examples of OMPs found in environmental samples are presented to highlight the potential of IMS−HRMS and to demonstrate the additional value of CCS data in various screening strategies. | ca_CA |
dc.format.extent | 42 p. | ca_CA |
dc.format.mimetype | application/pdf | ca_CA |
dc.language.iso | eng | ca_CA |
dc.publisher | American Chemical Society | ca_CA |
dc.relation.isPartOf | Environmental Science & Technology, 2020, vol. 54, no 23. | ca_CA |
dc.rights | © 2020 American Chemical Society. “This document is the Accepted Manuscript version of a Published Work that appeared in final form in Environmental Science and Technology, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.est.0c05713.” | ca_CA |
dc.rights.uri | http://rightsstatements.org/vocab/InC/1.0/ | * |
dc.title | Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation | ca_CA |
dc.type | info:eu-repo/semantics/article | ca_CA |
dc.identifier.doi | https://dx.doi.org/10.1021/acs.est.0c05713 | |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | ca_CA |
dc.relation.publisherVersion | https://pubs.acs.org/doi/10.1021/acs.est.0c05713 | ca_CA |
dc.type.version | info:eu-repo/semantics/acceptedVersion | ca_CA |
project.funder.name | Ministerio de Economia y Competitividad | ca_CA |
project.funder.name | Ministerio de Educación, Cultura y Deporte | ca_CA |
project.funder.name | Swedish Research Council | ca_CA |
project.funder.name | Swedish Research Council Formas | ca_CA |
project.funder.name | ATTRACT fellowship from the Luxembourg National Research Fund (FNR) | ca_CA |
project.funder.name | Universitat Jaume I | ca_CA |
project.funder.name | Ministerio de Ciencia, Innovación y Universidades | ca_CA |
project.funder.name | Generalitat Valenciana | ca_CA |
oaire.awardNumber | BES-2016-076914 | ca_CA |
oaire.awardNumber | FPU15/02033 | ca_CA |
oaire.awardNumber | 2018-02256 | ca_CA |
oaire.awardNumber | A18/BM/12341006 | ca_CA |
oaire.awardNumber | UJI-B2018-19 | ca_CA |
oaire.awardNumber | UJI-B2018-55 | ca_CA |
oaire.awardNumber | RTI2018-097417-B-100 | ca_CA |
oaire.awardNumber | 2019/040 | ca_CA |
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